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ethyl 6-bromo-4-{[3-(trifluoromethyl)phenyl]amino}quinoline-3-carboxylate

ethyl 6-bromo-4-{[3-(trifluoromethyl)phenyl]amino}quinoline-3-carboxylate

CAS: 449197-54-0

Formula: C19H14BrF3N2O2

SMILES: CCOC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)C2=CC(Br)=CC=C2N=C1

IUPAC: ethyl 6-bromo-4-{[3-(trifluoromethyl)phenyl]amino}quinoline-3-carboxylate

InChI: InChI=1S/C19H14BrF3N2O2/c1-2-27-18(26)15-10-24-16-7-6-12(20)9-14(16)17(15)25-13-5-3-4-11(8-13)19(21,22)23/h3-10H,2H2,1H3,(H,24,25)

Composition: C (51.96%), H (3.21%), Br (18.19%), F (12.98%), N (6.38%), O (7.28%)

Molar Mass: 439.232

Atom Count: 41

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 438.019075
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GZLXKPRCFBPFLO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 98.84
Topological Polar Surface Area 51.22
Polarizability 37.81
Ring Count 3
Rotatable Bond Count 6

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